SCHEMBL29664840

SCHEMBL29664840

N[C@@H](Cc1ccc(O)cc1)C(=O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.63
ESR2 Q92731 4/20 0.63
SLC7A5 Q01650 1/20 0.62
GRB2 P62993 1/20 0.49
TAAR1 Q96RJ0 3/20 0.48
SLC6A2 P23975 1/20 0.48
HDAC8 Q9BY41 2/20 0.48
PTPN1 P18031 2/20 0.45
DPP4 P27487 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tyrosine SCHEMBL29664050 0.84 SLC7A5 (0.83) ESR1ESR2SLC7A5GRB2PTPN1
Tyrosine SCHEMBL7445681 0.84 SLC7A5 (0.83) ESR1ESR2SLC7A5GRB2PTPN1
SCHEMBL32671739 0.84 ALPI (0.63) SLC7A5GRB2HDAC8PTPN1
Trifluoroacetic Acid SCHEMBL5302813 0.83 SLC7A5 (0.64) ESR1ESR2SLC7A5GRB2TAAR1
Trifluoroacetic Acid SCHEMBL5987000 0.83 SLC7A5 (0.64) ESR1ESR2SLC7A5GRB2TAAR1
Hydrochloric Acid SCHEMBL8195630 0.82 ALPI (0.61) SLC7A5GRB2HDAC8PTPN1
SCHEMBL16501755 0.82 SLC7A5 (0.62) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL13301968 0.82 SLC7A5 (0.62) ESR1ESR2SLC7A5TAAR1SLC6A2
Hydrochloric Acid SCHEMBL8200680 0.82 ALPI (0.61) SLC7A5GRB2HDAC8PTPN1
SCHEMBL28523750 0.79 SLC7A5 (0.69) ESR1ESR2SLC7A5GRB2TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160905-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-05-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220160905-A1 FLUORINATION METHOD AFF2, AFF1, AFF4 ESR1 2724/4885ESR2 2562/4885SLC7A5 135/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.